Geometry & MOs

Info

ID:	196398
PubChem CID:	78819502
Reduced:	BrFO2N3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	4.99
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-phenylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)C(C)C(=O)NC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations